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Hydroxy-PEG5-acid

CAT: 0804-HY-133051-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-133051-02Size:250 mg
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Description
Hydroxy-PEG5-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2079768-50-4
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hydroxy-peg5-acid.html
Purity
99.88
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(O)CCOCCOCCOCCOCCOCCO
Molecular Formula
C13H26O8
Molecular Weight
310.34
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Hydroxy-PEG5-acid
CAS Number2079768-50-4
PubChem CID129012726
IUPAC Name3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC13H26O8
Molecular Weight310.34
XLogP-1.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count21
Formal Charge0
Complexity224
SMILES
C(COCCOCCOCCOCCOCCO)C(=O)O
InChI
InChI=1S/C13H26O8/c14-2-4-18-6-8-20-10-12-21-11-9-19-7-5-17-3-1-13(15)16/h14H,1-12H2,(H,15,16)
InChIKey
NQZLSNLBIKBFNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG5-acid
CAS: 2079768-50-4
CID: 129012726
Formula: C13H26O8
MW: 310.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight310.34
XLogP3-1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass310.16276778
Monoisotopic Mass310.16276778
Topological Polar Surface Area104 Ų
Heavy Atom Count21
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes